SCHEMBL21726645

SCHEMBL21726645

N=C(CCC1CC1)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MPO P05164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C19 P33261 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17065065 0.78 MAPT (0.51) MAPTALDH1A1MAPK1KMT2ACHRNB2
SCHEMBL21919220 0.74 SIGMAR1 (0.43) CYP2A6GSK3B
SCHEMBL27406528 0.72 HDAC3 (0.40) ALDH1A1KMT2ASMN1; SMN2KDM4EMPO
SCHEMBL8429957 0.71 TDP1 (0.52) ALDH1A1MAPK1KMT2ATSHRSMN1; SMN2
Hexane SCHEMBL20446667 0.70 NAAA (0.47) MAPTALDH1A1MAPK1KMT2ACYP1A2
SCHEMBL28233818 0.68 MAPT (0.40) MAPTALDH1A1MAPK1KMT2AGAA
SCHEMBL21919085 0.67 KMT2A (0.41) MAPTKMT2ASMN1; SMN2GSK3B
SCHEMBL22056712 0.67 NAPRT (0.41) MAPTALDH1A1KMT2AKDM4EMPO
SCHEMBL27761579 0.67 KDM4E (0.50) MAPTALDH1A1MAPK1KMT2ATSHR
SCHEMBL18623202 0.66 MAPT (0.39) MAPTALDH1A1MAPK1KMT2ARECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562850-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10562850-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 MAPT 2812/4885ALDH1A1 1419/4885MAPK1 854/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.